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Add missing kwarg to merge wrapper function.
1 parent 3364c2c commit 1d064c0

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python/BioSimSpace/Align/_align.py

Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -2031,6 +2031,7 @@ def merge(
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mapping=None,
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allow_ring_breaking=False,
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allow_ring_size_change=False,
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fix_perturbable_zero_sigmas=False,
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force=False,
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roi=None,
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property_map0={},
@@ -2062,6 +2063,9 @@ def merge(
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allow_ring_size_change : bool
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Whether to allow changes in ring size.
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fix_perturbable_zero_sigmas : bool
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Whether to prevent sigma values being perturbed to zero.
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force : bool
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Whether to try to force the merge, even when the molecular
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connectivity changes not as the result of a ring transformation.
@@ -2135,6 +2139,9 @@ def merge(
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if not isinstance(allow_ring_size_change, bool):
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raise TypeError("'allow_ring_size_change' must be of type 'bool'")
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if not isinstance(fix_perturbable_zero_sigmas, bool):
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raise TypeError("'fix_perturbable_zero_sigmas' must be of type 'bool'")
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if not isinstance(force, bool):
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raise TypeError("'force' must be of type 'bool'")
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@@ -2170,6 +2177,7 @@ def merge(
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sire_mapping,
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allow_ring_breaking=allow_ring_breaking,
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allow_ring_size_change=allow_ring_size_change,
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fix_perturbable_zero_sigmas=fix_perturbable_zero_sigmas,
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force=force,
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roi=roi,
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property_map0=property_map0,

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